SCHEMBL10591053

SCHEMBL10591053

CCOc1ccc(C(CN2C(=O)c3ccccc3C2=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CASP3 P42574 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9778090 0.86 HSD17B10 (0.56) KMT2AALDH1A1HPGDMEN1NPSR1
SCHEMBL10594053 0.81 CASP3 (0.43) RPS6KA2KMT2AALDH1A1MEN1MAPK1
SCHEMBL10593868 0.76 CA12 (0.44) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL9777952 0.76 HSD17B10 (0.53) KMT2AALDH1A1HPGDNPSR1TP53
SCHEMBL9778019 0.75 ALDH1A1 (0.46) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL9778058 0.74 ALDH1A1 (0.43) ALDH1A1MAPTLMNA
SCHEMBL13416394 0.71 KMT2A (0.51) RPS6KA2KMT2AALDH1A1HPGDRAB9A
SCHEMBL18651719 0.70 KMT2A (0.48) RPS6KA2KMT2AALDH1A1HPGDRAB9A
SCHEMBL11862277 0.70 KDM4E (0.74) RPS6KA2KMT2AALDH1A1HPGDMEN1
SCHEMBL14960666 0.70 KMT2A (0.50) RPS6KA2KMT2AALDH1A1HPGDRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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